3,3,3-trifluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]propanamide

C13H18F3N5O2 — CID 122321665

IUPAC3,3,3-trifluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]propanamide
SMILESO=C(CC(F)(F)F)NCCNc1cc(N2CCOCC2)cnn1
InChIInChI=1S/C13H18F3N5O2/c14-13(15,16)8-12(22)18-2-1-17-11-7-10(9-19-20-11)21-3-5-23-6-4-21/h7,9H,1-6,8H2,(H,17,20)(H,18,22)
InChIKeyGMYODFMYFUBWAH-UHFFFAOYSA-N
MW333.31 g/mol
LogP0.79
Rot. Bonds6

About 3,3,3-trifluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]propanamide

3,3,3-trifluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]propanamide (PubChem CID 122321665) has the molecular formula C13H18F3N5O2 and a molecular weight of 333.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]propanamide
PubChem CID122321665
Molecular FormulaC13H18F3N5O2
Molecular Weight333.31 g/mol
Exact Mass333.14
IUPAC Name3,3,3-trifluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]propanamide
SMILESO=C(CC(F)(F)F)NCCNc1cc(N2CCOCC2)cnn1
InChIInChI=1S/C13H18F3N5O2/c14-13(15,16)8-12(22)18-2-1-17-11-7-10(9-19-20-11)21-3-5-23-6-4-21/h7,9H,1-6,8H2,(H,17,20)(H,18,22)
InChIKeyGMYODFMYFUBWAH-UHFFFAOYSA-N
XLogP0.79
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]propanamide (CID 122321665) is 3,3,3-trifluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]propanamide is O=C(CC(F)(F)F)NCCNc1cc(N2CCOCC2)cnn1.
What is the InChIKey of 3,3,3-trifluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]propanamide?
The InChIKey is GMYODFMYFUBWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5O2/c14-13(15,16)8-12(22)18-2-1-17-11-7-10(9-19-20-11)21-3-5-23-6-4-21/h7,9H,1-6,8H2,(H,17,20)(H,18,22).
What are the key properties of 3,3,3-trifluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]propanamide?
3,3,3-trifluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]propanamide has a molecular weight of 333.31 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]propanamide is sourced from PubChem (CID 122321665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).